N-[2-(4-methoxyphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C21H24F3N3O3S2 MolecularWeight: 487.55877

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O3S2/c1-30-18-7-5-16(6-8-18)9-10-25-20(31)26-11-13-27(14-12-26)32(28,29)19-4-2-3-17(15-19)21(22,23)24/h2-8,15H,9-14H2,1H3,(H,25,31)